CAS 460-39-9 3,3,3-Trifluoropropylamine (HCID 10001)

Names & identifiers

Preferred name: 3,3,3-Trifluoropropylamine
IUPAC: 3,3,3-trifluoropropan-1-amine
English name: 3,3,3-TRIFLUOROPROPYLAMINE
Molecular formula: C3H6F3N
Molecular weight: 113.08

Names & synonyms

3,3,3-TrifluoropropylamineRefChem:485097676-291-9460-39-93,3,3-trifluoropropan-1-amineTrifluoropropylamineMFCD016948541-Propanamine, 3,3,3-trifluoro-3,3,3-trifluoro-1-propanamineBRN 17347643,3,3-trifluoro-propylamine3,3,3-TRIFLUOROPROPYL-1-AMINE

Show more names

CF3CH2CH2NH23,3,3-trifluoro-propylamin3,3,3-trifluoro-1-propanamin3,3,3-TRIFLUOROBUTYL-1-AMINE3,3,3-Trifluoropropylamine97%1-Amino-3,3,3-trifluoropropane

PROPYLAMINE, 3,3,3-TRIFLUORO-1-Propanamine, 3,3,3-trifluoro- (9CI)SCHEMBL5088019DTXSID10196680FS-55353,3,3-trifluoropropylamine, AldrichCPRBB 0259905EN300-41780

Database identifiers

CAS: 460-39-9
PubChem CID: 10001
DTXSID: DTXSID10196680
ChEMBL: CHEMBL1162287
EC Number: 676-291-9
Nikkaji: J3.559.514G

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 48

Experimental & physicochemical properties

Dissociation Constants8.7

Physicochemical properties

Boiling point: 67 °C · 67 °C
Density: 1.152 · 1.152±0.06 g/cm3(Predicted)
refractive index: 1.3316 · 1.3316
form: liquid
pka: 8.18 · 8.18±0.10(Predicted)
color: Clear
InChI: 1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2
InChIKey: NGZVNONVXYLYQW-UHFFFAOYSA-N
SMILES: NCCC(F)(F)F
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H335-H302+H332-H314
Precautionary statements: 210 · P210-P241-P260
Hazard Codes: C
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
RIDADR: 2734 · UN2734
WGK Germany: 3 · WGK 3
Hazard Note: Corrosive
HazardClass: 8 · 8, 3
HS Code: 2921199990 · 2921199990
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 2 OralEye · Acute Tox. 2 OralEye Dam. 1Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (40%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H300 (20%): Fatal if swallowed [Danger Acute toxicity, oral]；H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (60%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (20%)；Acute Tox. 4 (20%)；Skin Corr. 1B (60%)；Skin Irrit. 2 (40%)；Eye Dam. 1 (40%)；Eye Irrit. 2 (20%)；Acute Tox. 4 (20%)；STOT SE 3 (40%)

Safety data

wgk: WGK 3
ridadr: UN2734
hs_code: 2921199990
risk_code: 41
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-39
hazard_class: 8, 3
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard statements: H225-H335-H302+H332-H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 2 OralEye Dam. 1Skin Corr. 1B
Precautionary statements: P210-P241-P260

Chemistry & industry

Preparation methods

PreparationIn 2 mL of 20 mM pH 8.0 phosphate buffer, add 0.25 mg ω-TA, 5 μmol trifluoroacetone, 15 μmol L-aspartic acid, and 0.1 μmol PLP. After reacting at 25 °C for 1 h, 3,3,3-Trifluoropropylamine with a conversion rate of 97.0% was obtained.